Results for:
chemical Classification: phenylpropanoids

1,2-dimethoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Allylveratrol
METHYLEUGENOL
Eugenol methylether
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Allyl veratrole
O-Methyleugenol
Eugenol methyl
Methyl eugenol
Methyl Eugenol Natural
Veratrole methyl ether
4-Allylveratrole
Eugenol methyl ether
Eugenyl methyl ether
Methyl eugenol ether
Methyl eugenyl ether
4-Allylveratrol
AC1Q4FDV
Methyl eugenol, analytical standard
O-Methyl eugenol
3,4-Dimethoxyallylbenzene
Methy l eugenyl ether
o-Methyl eugenol ether
AC1L1O2J
AC1Q46TK
3,4-Dimethoxyallyl benzene
M664
LS-15
NSC8900
2-Methoxy-4-propenylphenol methyl ether
29T9VA6R7M
CCRIS 746
CTK3J0502
ACMC-209rk6
C11H14O2
CHEMBL108861
SCHEMBL113794
C10454
CHEBI:4918
HMS2269M09
HSDB 4504
UNII-29T9VA6R7M
ZINC388674
1,4-Eugenol methyl ether
4-Allyl-1,2-dimethyoxybenzene
AK162493
BBL027720
DTXSID5025607
FEMA Number 2475
FR-0577
NSC-8900
NSC209528
OR002711
OR143573
OR313506
OR377416
SBB007916
STK801819
1-Allyl-3,4-dimethoxybenzene
1,2-Dimethoxy-4-allylbenzene
4-Allyl-1,2-dimethoxybenzene
Dimethoxy-4-(2-propenyl)benzene
DSSTox_CID_5607
AN-24255
ANW-39988
AX8129901
Caswell No. 579AB
DSSTox_GSID_25607
ENT 21040
LS-29885
SCHEMBL10108224
TRA0076734
BB_NC-0711
BDBM50379791
DSSTox_RID_77851
MFCD00008652
ZINC00388674
AI3-21040
DB-002806
Eugenol methyl ether;1,2-Dimethoxy-4-allylbenzene
KB-177539
Methyl eugenol, >=98%, FCC
NSC 209528
NSC-209528
RTR-029187
ST24043178
ST50330558
TR-029187
1,2-Dimethoxy-4-allyl benzene
4-allyl-1,2-dimethoxy-benzene
AKOS015838877
BB_NC-00711
EPA Pesticide Chemical Code 203900
W-100251
1,3,4-Eugenol methyl ether
BRN 1910871
FEMA No. 2475
FT-0626371
MLS001065600
MLS001333205
MLS001333206
SMR000112378
93-15-2
BBV-39688198
Tox21_202347
Tox21_300071
1,2-dimethoxy-4-prop-2-enylbenzene
10005-561a
WLN: 1U2R CO1 DO1
CAS-93-15-2
NCGC00091474-01
NCGC00091474-02
NCGC00091474-03
NCGC00091474-04
NCGC00254085-01
NCGC00259896-01
4-Allyl-1,2-dimethoxybenzene, 99%
EINECS 202-223-0
1,2-Dimethoxy-4-(2-propenyl)benzene
Benzene, 4-allyl-1,2-dimethoxy-
1-(3,4-Dimethoxyphenyl)-2-propene
3-(3,4-dimethoxyphenyl)-1-propene
Benzene,2-dimethoxy-4-(2-propenyl)-
MolPort-000-154-691
Benzene, 4-(2-propenyl)-1,2-dimethoxy
1,2-Dimethoxy-4-(2-propen-1-yl)benzene
Benzene, 1,2-dimethoxy-4-(2-propenyl)-
1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
Microorganism:

No

IUPAC name1,2-dimethoxy-4-prop-2-enylbenzene
SMILESCOC1=C(C=C(C=C1)CC=C)OC
InchiInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
FormulaC11H14O2
PubChem ID7127
Molweight178.231
LogP2.76
Atoms27
Bonds27
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids ethers phenylpropanoids

mVOC Specific Details

Volatilization
The Henry's Law constant for methyleugenol is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 0.012 mm Hg(1), and water solubility, 500 mg/L(2). This Henry's Law constant indicates that methyleugenol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 9 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 69 days(SRC). Methyleugenol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyleugenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data; NY,NY: McGraw-Hill 6th ed (1984) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #Methyleugenol dissipates rapidly from both soil and water(1). At 32 deg C, 98% of methyleugenol was lost within 96 hours; 77 and 81% were lost from water and soil, respectively, after 96 hours at 22 deg C(1). These values correspond to a half-life of 6 hours in soil and water at 32 deg C, and half-lives of 16 and 34 hours in soil and water, respectively, at 22 deg C(1).
Literature: (1) Shaver TN, Bull DL; Bull Environ Contam Toxicol 24: 619-26 (1980)
Soil Adsorption
The Koc of methyleugenol is estimated as 140(SRC), using a water solubility of 500 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyleugenol is expected to have high mobility in soil. However, the compound was immobile in silty loam, Lufkin fine sandy loam, Houston clay, and Brazos river bottom sand using soil thin layer chromatography(4).
Literature: (1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Shaver TN; Arch Environ Contam Toxicol 13: 335-40 (1984)
Vapor Pressure
PressureReference
0.012 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Compound Details

Synonymous names
FERULICACIDMETHYLESTER
trans-methylferulate
AUJXJFHANFIVKH-GQCTYLIASA-N
Ferulic acid methylester
Methyl ferulate
Ferulic acid methyl ester
AC1NSAI3
trans-Ferulic acid methyl ester
Y98BUA66RX
methyl 4-hydroxy-3-methoxycinnamate
AC1Q41K7
UNII-Y98BUA66RX
CHEMBL32969
NSC74548
bmse010229
bmse000609
GS-3694
SBB059306
STK665368
CHEBI:67379
ZINC1621053
LS-54118
NSC 74548
NSC-74548
AK-88786
CJ-05793
ST2413323
AJ-28336
ST4134741
AB1009461
MFCD00017208
4-hydroxy-3-methoxy-cinnamic acid methyl ester
ZINC01621053
ALBB-026142
AI3-23713
TC-133591
KB-114344
KB-203012
AKOS025310509
J-014979
I01-8171
AKOS003404666
(E)4-hydroxy-3-methoxycinnamic acid methyl ester
FT-0698057
BRN 2731141
methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
methyl (E)-4-hydroxy-3-methoxycinnamate
EN300-28623
(E)-4-hydroxy-3-methoxycinnamic acid methyl ester
2309-07-1
MCULE-7084750759
22329-76-6
methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER
MolPort-001-786-899
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
4-10-00-01779 (Beilstein Handbook Reference)
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester
methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate #
Ferulic acid methyl ester; 4-Hydroxy-3-methoxycinnamic acid methyl ester; Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester (9CI)
2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
Microorganism:

No

IUPAC namemethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOC1=C(C=CC(=C1)C=CC(=O)OC)O
InchiInChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
FormulaC11H12O4
PubChem ID5357283
Molweight208.213
LogP2.05
Atoms27
Bonds27
H-bond Acceptor3
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Esters Ethers Alkenes phenylpropanoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPuccinia Graminis Var. TriticiProbably an active inhibitor of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPuccinia Graminis Var. Triticin/an/a


Methyl 3-(4-methoxyphenyl)prop-2-enoate

Compound Details

Synonymous names
p-Methoxymethylcinnamate
VEZIKIAGFYZTCI-UHFFFAOYSA-N
Methyl p-methoxycinnamate
METHYL-4-METHOXYCINNAMATE
Methyl 4-methoxycinnamate
4-Methoxycinnamate methyl ester
4-methoxycinnamic acid methyl ester
AC1L3OY7
ACMC-209prj
CTK5F0468
VZ36323
OR161526
OR191600
ANW-37661
AN-47758
NSC 26461
DB-075905
DB-042723
methyl 3-(4-methoxyphenyl)prop-2-enoate
MCULE-3790454540
EINECS 212-614-8
MolPort-006-109-324
Cinnamic acid, p-methoxy-, methyl ester (8CI)
2-Propenoic acid,3-(4-methoxyphenyl)-, methyl ester
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester (9CI)
Microorganism:

Yes

IUPAC namemethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC1=CC=C(C=C1)C=CC(=O)OC
InchiInChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3
FormulaC11H12O3
PubChem ID92841
Molweight192.214
LogP2.36
Atoms26
Bonds26
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids esters ethers alkenes phenylpropanoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Lentius LepideusBirkinshaw and findlay 1941
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Lentius Lepideusno


(E)-3-(2-hydroxyphenyl)prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
ortho-Hydroxycinnamate
o-Hydroxycinnamate
ortho-Hydroxycinnamic acid
PMOWTIHVNWZYFI-AATRIKPKSA-N
2-HYDROXYCINNAMICACID
trans-o-Hydroxycinnamate
2-Hydroxycinnamate
AC1LCUFT
o-coumarate
ortho-coumaric acid
trans-2-Hydroxycinnamate
trans-o-Hydroxycinnamic acid
2-Hydroxycinamic acid
2-Hydroxycinnamic acid
2HC
o-Hydroxy-trans-cinnamate
trans-o-Coumarate
2-Coumarate
o-Coumaric acid
trans-2-Hydroxycinnamic acid
trans-o-Coumaric acid
2-Coumaric acid
AC1Q71FE
o-Hydroxy-trans-cinnamic acid
2-Hydroxy Cinnamic Acid
23AU5FZB9C
PubChem8214
trans-2-coumaric acid
UNII-2S0H1PX3LM component PMOWTIHVNWZYFI-AATRIKPKSA-N
CHEMBL52564
SCHEMBL64885
UNII-23AU5FZB9C
HMDB02641
QSPL 150
R1101
(E)-Coumarinic Acid
DB01650
NSC32952
OR40640
(E)-o-Hydroxycinnamic acid
bmse000347
C01772
CCRIS 5834
Cinnamic acid, o-hydroxy-
ZINC895911
(E)-ortho-coumaric acid
AK112252
AK310579
BBL013048
DNC011169
LP059962
OR001908
SBB065726
ST097457
STK301745
(E)-2-hydroxycinnamic acid
3-(2-hydroxyphenyl)acrylic acid
CHEBI:18125
CHEBI:18176
WLN: QV1U1R BQ
AJ-24216
AN-46543
KB-86220
LS-54110
NSC 32952
NSC-32952
trans-3-(2-hydroxyphenyl)propenoic acid
ALBB-025832
BB_NC-2272
BDBM50146462
C-04438
CINNAMIC ACID,2-HYDROXY (TRANS)
MFCD00004379
ZX-AT016055
2-Hydroxycinnamic acid, predominantly trans, 97%
RTR-037283
TR-037283
AKOS003790794
I04-0024
BRN 1100900
FT-0612591
FT-0612592
3-(2-hydroxyphenyl)prop-2-enoate
2-Hydroxycinnamic acid, (E)-
583-17-5
614-60-8
F2191-0203
3-(2-Hydroxyphenyl)-2-propenoic acid
3-(2-hydroxyphenyl)prop-2-enoic acid
MCULE-5451854573
EINECS 210-386-4
(E)-3-(2-hydroxyphenyl)acrylic acid
(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
MolPort-001-641-053
(E)-3-(2-hydroxyphenyl)-acrylic acid
2-Propenoic acid, 3-(2-hydroxyphenyl)-
CINNAMIC ACID, o-HYDROXY-, (E)-
(E)-3-(2-HYDROXY-PHENYL)-ACRYLIC ACID
(E)-3-(2-Hydroxyphenyl)-2-propenoic acid
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
(2E)-3-(2-Hydroxyphenyl)-2-propenoic acid
(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)-
2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-
90E8F55A-AB69-4720-95AF-747C2DCA5471
2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)- (9CI)
Microorganism:

Yes

IUPAC name(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESC1=CC=C(C(=C1)C=CC(=O)O)O
InchiInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
FormulaC9H8O3
PubChem ID637540
Molweight164.16
LogP1.83
Atoms20
Bonds20
H-bond Acceptor3
H-bond Donor2
Chemical Classificationphenylpropanoids carboxylic acids benzenoids alcohols alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiInonotus ObliquusnaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiInonotus ObliquusnaHPLCYes


(E)-3-(4-hydroxyphenyl)prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
hydroxycinnamate
p-Hydroxyphenylacrylate
4-Hydroxyphenylpropenoate
Hydroxycinnamic acid
Naringeninic acid
NGSWKAQJJWESNS-ZZXKWVIFSA-N
p-Hydroxycinnamate
p-Hydroxyphenylacrylic acid
4-Hydroxycinnamicacid
p-Caumaric acid dehydrogenation homopolymer
trans-p-Hydroxycinnamate
4-Hydroxycinnamate
4'-Hydroxycinnamate
Coumaric Acid
p-Hydroxy-cinnamicacid
p-Hydroxycinnamic acid
Para coumarate
Para-Coumarate
AC1LCUFZ
4'-hydroxycinnamic acid
p-Cumarate
Para coumaric acid
Para-Coumaric acid
trans-4-hydroxycinnamate
trans-p-Hydroxycinnamic acid
4-Hydroxycinamic acid
4-Hydroxycinnamic acid
4qem
trans-p-coumarate
4-coumarate
4-Hydroxy cinnamate
p-coumaric acid
p-Cumaric acid
p-Hydroxy-cinnamic acid
P-HYDROXYL CINNAMIC ACID
trans-4-Hydroxycinnamic acid
trans-p-Coumarinic acid
4f8j
IBS9D1EU3J
p-Coumaric acid, primary pharmaceutical reference standard
p-Coumaric acid,trans
trans-p-Coumaric acid
4-Coumaric acid
E-4-Hydroxycinnamic Acid
p-Hydroxycinnamic acid, trans
trans-p-Cumaric Acid
4-hydroxy cinnamic acid
C9H8O3
PubChem8247
UNII-IBS9D1EU3J
AC1Q5T95
AC1Q71H0
BDBM4374
beta-[4-Hydroxyphenyl]acrylate
GTPL5787
trans-4-coumaric acid
trans-p-Coumaric acid, analytical standard
b-[4-Hydroxyphenyl]acrylate
CHEMBL66879
p-Coumaric acid, trans
PubChem24323
SCHEMBL39106
beta-(4-Hydroxyphenyl)acrylic acid
beta-[4-Hydroxyphenyl]acrylic acid
HMDB02035
N1817
ZINC39811
AN-287
AS03322
DB04066
LS30305
NSC59260
RP09062
RP17402
(E)-p-Hydroxycinnamic acid
3-(4-hydroxyphenyl)acrylate
b-[4-Hydroxyphenyl]acrylic acid
bmse000150
bmse000591
bmse010208
C00811
Cinnamic acid, p-hydroxy-
HMS1409E10
AK134594
BBL012226
COUMARIC ACID, TRANS-P-
DNC010454
DTXSID6064660
MP-2217
NSC674321
OR001906
OR335545
OR335546
SBB007613
ST093691
STL163567
(E)-4-hydroxycinnamic acid
3-(4-hydroxyphenyl)acrylic acid
CHEBI:32374
CHEBI:36090
p-hydroxycinnamic acid (M4)
(E)-p-Coumaric acid
4CN-0926
AC-10318
AJ-08911
AK-26304
AKOS BAR-2479
AX8022446
BCP9001042
BP-13278
BR-26304
KB-72564
LS-54111
LS-54112
NSC 59260
NSC-59260
SC-25929
SC-65982
ST2402517
TL8005115
ATTERCOP-CHM AT113965
BB_NC-2249
MFCD00004399
RARECHEM BK HW 0163
ZX-AT011614
AM20050138
NSC 674321
NSC-674321
RTR-017943
RTR-023948
ST24022578
TC-164240
TIMTEC-BB SBB007613
TR-017943
TR-023948
.beta.-[4-Hydroxyphenyl]acrylic acid
AKOS 221-47
AKOS000120685
I01-9546
I01-9648
I04-0102
Q-100560
W-104438
BRN 2207381
BRN 2207383
FT-0618278
FT-0623944
FT-0649249
FT-0650655
MLS001066419
SMR000112201
LABOTEST-BB LT00452637
LABOTEST-BB LT03329617
3-(4-Hydroxyphenyl)-2-propenoate
501-98-4
F2191-0188
3-(4-Hydroxyphenyl)-2-propenoic acid
3-(4-hydroxyphenyl)prop-2-enoic acid
4-coumaric acid, (E)-isomer
4501-31-9
7400-08-0
Cinnamic acid, 4-hydroxy-, trans-
NCGC00246974-01
EINECS 231-000-0
(E)-3-(4-Hydroxyphenyl)acrylic acid
50940-26-6
OTAVA-BB 7020400347
(2E)-3-(4-hydroxyphenyl)acrylic acid
MolPort-000-860-894
MolPort-004-288-351
p-Coumaric acid, >=98.0% (HPLC)
2-Propenoic acid, 3-(4-hydroxyphenyl)-
AE-562/40414679
Cinnamic acid, p-hydroxy-, (E)-
(E)-3-(4-HYDROXY-PHENYL)-ACRYLIC ACID
2-Propenoic acid, 3-(4-hydroxyphenyl)-, homopolymer
(E)-3-(4-Hydroxyphenyl)-2-propenoic acid
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
(E)-3-[4-hydroxyphenyl]-2-propenoic acid
(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid
(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid #
0-10-00-00297 (Beilstein Handbook Reference)
4-10-00-01005 (Beilstein Handbook Reference)
0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F783
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-
2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)
InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3
Microorganism:

Yes

IUPAC name(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESC1=CC(=CC=C1C=CC(=O)O)O
InchiInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
FormulaC9H8O3
PubChem ID637542
Molweight164.16
LogP1.83
Atoms20
Bonds20
H-bond Acceptor3
H-bond Donor2
Chemical ClassificationBenzenoids Alcohols Ketones Alkenes carboxylic acids phenylpropanoids

mVOC Specific Details

MS-Links
MS-MS Spectrum 6490 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 6489 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 179818
MS-MS Spectrum 6487 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 6485 - EI-B (HITACHI M-52) Positive
MS-MS Spectrum 226625
MS-MS Spectrum 179819
MS-MS Spectrum 6492 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 6495 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V Negative
MS-MS Spectrum 179817
MS-MS Spectrum 182152
MS-MS Spectrum 226626
MS-MS Spectrum 6488 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 6486 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 182151
MS-MS Spectrum 182153
MS-MS Spectrum 6493 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 6494 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAgaricus Bisporus (white)nanortheast PortugalReis et al., 2012
FungiCoprinus Comatusscavengers of peroxy radicalsSerbian pharmaciesStilinović et al., 2014
FungiCordyceps Sinensisscavengers of peroxy radicalsSerbian pharmaciesStilinović et al., 2014
FungiGanoderma Applanatumscavenging abilityFruska Gora low mountain chain, northern SerbiaKaraman et al., 2010.
FungiPleurotus Eryngiinanortheast PortugalReis et al., 2012
FungiPleurotus Ostreatusnanortheast PortugalReis et al., 2012
FungiSparassis CrispanaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAgaricus Bisporus (white)MMN-mediumHPLC/PADYes
FungiCoprinus ComatusnaLC-MS/MSYes
FungiCordyceps SinensisnaLC-MS/MSYes
FungiGanoderma ApplanatumnaHPLCYes
FungiPleurotus EryngiiMMN-mediumHPLC/PADYes
FungiPleurotus OstreatusMMN-mediumHPLC/PADYes
FungiSparassis CrispanaHPLCYes


2-oxo-3-phenylpropanoic Acid

Compound Details

Synonymous names
Phenylbrenztraubensaeure
Phenylpyroracemate
alpha-Ketohydrocinnamate
phenylpyruvate
Phenylpyroracemic acid
keto-phenylpyruvate
alpha-ketohydrocinnamic acid
beta-Phenylpyruvate
phenylpyruvic acid
BTNMPGBKDVTSJY-UHFFFAOYSA-N
b-Phenylpyruvate
keto-phenylpyruvic acid
alpha-oxo-benzenepropanoic acid
beta-Phenylpyruvic acid
b-phenylpyruvic acid
PPY
Phenylpyruvic acid, analytical standard
Phenyl pyruvic acid
alpha-Keto-DL-phenylalanine
4kif
1PY
AC1Q5BXH
PHENYLPYRUVIC ACID, REAG
3-Phenylpyruvic acid
AC1Q71MR
AC1L1AI2
Benzenepropanoic acid, alpha-oxo-
.beta.-Phenylpyruvic acid
7828AA
3-phenyl-2-oxopropanoate
SCHEMBL43235
Phenylpyruvic acid, 98%
P0154
Pyruvic acid, phenyl-
HMDB00205
CTK3I9730
3-Phenyl-2-oxopropanoic acid
2-OXO-3-PHENYLPROPIONIC ACID
2-Oxo-3-phenylpropanoic acid
ACMC-209dd9
DB03884
ZINC901485
2-Oxo-3-phenylpropanic acid
X7CO62M413
C00166
OR001907
Jsp003068
OR225856
DTXSID1042281
CHEMBL1162488
SBB012361
ST068813
CHEBI:30851
UNII-X7CO62M413
DSSTox_GSID_42281
GEO-02572
ANW-21595
AN-44056
SC-18873
AK-90109
AJ-24364
2-oxo-3-phenyl-propionic acid
2-oxo-3-phenyl-propanoic acid
DSSTox_RID_79988
MFCD00002589
Benzenepropanoic acid, .alpha.-oxo-
DSSTox_CID_22281
TR-033542
AC-116009
RTR-033542
KB-204474
I01-8172
Q-201562
S02-0190
AKOS000161798
FT-0631855
EN300-49247
Tox21_301362
Z1270443861
I14-100923
156-06-9
MCULE-9935480822
NCGC00255726-01
EINECS 205-847-1
CAS-156-06-9
MolPort-001-780-024
114-76-1 (hydrochloride salt)
Phenylpyruvic acid, purum, >=98.0% (T)
51828-93-4 (calcium salt)
7D5F143E-52E8-4FBB-87F1-0D4F96B4CA60
Microorganism:

Yes

IUPAC name2-oxo-3-phenylpropanoic acid
SMILESC1=CC=C(C=C1)CC(=O)C(=O)O
InchiInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
FormulaC9H8O3
PubChem ID997
Molweight164.16
LogP1.9
Atoms20
Bonds20
H-bond Acceptor3
H-bond Donor1
Chemical ClassificationBenzenoids Acids Ketones phenylpropanoids carboxylic acids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLactobacillus Plantarumn/aSchulz and Dickschat, 2007
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
FungiBjerkandera Adustan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactococcus Sp.n/an/a
FungiBjerkandera Adustan/an/a


5-prop-2-enyl-1,3-benzodioxole

Mass-Spectra

Compound Details

Synonymous names
Allyldioxybenzene methylene ether
Allylpyrocatechol methylene ether
Allylcatechol methylene ether
m-Allylpyrocatechin methylene ether
Sassafras
Shikimol
Shikimole
Shikomol
ZMQAAUBTXCXRIC-UHFFFAOYSA-N
4-Allylpyrocatechol formaldehyde acetal
Rhyuno
Safrene
Safrol
safrole
3,4-methylenedioxyallylbenzene
4-allylpyrocatechol methylene ether
Rhyuno oil
Safrole MF
4-allylcatechol methylene ether
3,4-methylenedioxy-allylbenzene
4-Allyl-procatecol
AC1L1JP9
ZINC2050
3,4-(Methylenedioxy)allylbenzene
Safrole, >=97%
SCHEMBL56828
1-ALLYL-3,4-METHYLIDENEDIOXYBENZENE
4-?Allyl-?1,2-?methylenedioxybenzene
CCRIS 553
CTK5H6850
HMS503M05
S0002
1-Allyl-3,4-methylenedioxybenzene
1,2-Methylenedioxy-4-allylbenzene
3,4-methylenedioxyphenyl-2-propene
4-Allyl-1,2-methylenedioxybenzene
CHEMBL242273
NSC11831
C10490
CHEBI:8994
HMS1922E22
HSDB 2653
RCRA waste number U203
RSB34337V9
SPECTRUM1503620
DTXSID0021254
FS-3451
HE020707
HE418729
LS-1965
Safrole, certified reference material, TraceCERT(R)
ZB000468
5-?Allyl-?1,3-?benzodioxole
DSSTox_CID_1254
Spectrum_001446
UNII-RSB34337V9
AN-24294
BSPBio_002810
CC-34344
DSSTox_GSID_21254
FCH3411428
KBioGR_002319
KBioSS_001926
NSC 11831
NSC-11831
SC-75261
SCHEMBL13045858
5-Allyl-1,3-benzodioxole
C-30422
Caswell No. 729
DSSTox_RID_76041
NINDS_001022
SPBio_000850
Spectrum2_000775
Spectrum3_001105
Spectrum4_001939
Spectrum5_000843
ZINC00002050
AI3-00514
CCG-214763
DB-057512
ST50406117
AKOS016017163
DivK1c_001022
EPA Pesticide Chemical Code 097901
KBio1_001022
KBio2_001926
KBio2_004494
KBio2_007062
KBio3_002030
RCRA waste no. U203
1-Allyl-3,4-(methylenedioxy)benzene
1,2-(Methylenedioxy)-4-allylbenzene
3-Allyl-1,2-(methylenedioxy)benzene
4-Allyl-1,2-(methylenedioxy)benzene
BRN 0136380
FT-0606467
IDI1_001022
MLS001056251
SMR001216599
1, 5-allyl-
5-allyl-1,3-benzodiox ole
5-allyl-benzo[1,3]dioxole
94-59-7
I14-56876
Tox21_202439
Tox21_300520
10024-001a
4-Allyl-1,2-(methylenedioxy)-benzene
5-allylbenzo[d][1,3]dioxole
Benzene, 1,2-methylenedioxy-4-allyl-
CAS-94-59-7
1,3-Benzodioxole, 5-allyl-
1406-55-9
5-prop-2-enyl-1,3-benzodioxole
5-prop-2-enylbenzo[1,3]dioxole
8022-92-2
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
Benzodioxole, 5-(2-propenyl)-
NCGC00091122-01
NCGC00091122-02
NCGC00091122-03
NCGC00091122-04
NCGC00091122-05
NCGC00091122-06
NCGC00254416-01
NCGC00259988-01
3-(3,4-methylendioxyphenyl)-1-propene
3-(3,4-Methylenedioxyphenyl)prop-1-ene
EINECS 202-345-4
SDCCGMLS-0066708.P001
(1,2-(Methylenedioxy)-4-allyl)benzene
[1,2-(Methylenedioxy)-4-allyl]benzene
4-Allyl-1,2-(methylened ioxy)-benzene
5-(2-Propenyl)-1,3-benzodioxole
WLN: T56 BO DO CHJ G2U1
MolPort-001-788-008
Benzene, 4-allyl-1,2-(methylenedioxy)-
1, 5-(2-propenyl)-
3-[(3,4-Methylenedioxy)phenyl]-1-propene
3-[3,4-(methylenedioxy)phenyl]-1-propene
1,3-Benzodioxole, 5-(2-propenyl)-
5-19-01-00553 (Beilstein Handbook Reference)
1,3-Benzodioxole, 5-(2-propen-1-yl)-
5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
5-I(c)+/-u>>u-1,3-+/-(1/2)(2) cent paragraph signthorndouble daggerfA
4-I(c)+/-u>>u-1,2-NC(1/4)x>>u paragraph signthornNo>>u+/-(1/2)
InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H
Microorganism:

No

IUPAC name5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCC1=CC2=C(C=C1)OCO2
InchiInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
FormulaC10H10O2
PubChem ID5144
Molweight162.188
LogP2.7
Atoms22
Bonds23
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPhenylpropanoids heterocyclic compounds benzenoids ethers

mVOC Specific Details

Volatilization
The Henry's Law constant for safrole is estimated as 9.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that safrole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 42 days(SRC). Safrole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Safrole is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.0706 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for safrole can be estimated to be 300(SRC). According to a classification scheme(2), this estimated Koc value suggests that safrole is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0706 mm Hg at 25 deg C /Extrapolated/Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes


1-methoxy-4-[(E)-prop-1-enyl]benzene

Mass-Spectra

Compound Details

Synonymous names
para-methoxyphenylpropene'
p-Propenylmethoxybenzene
isoestragol>
Isoestragole
trans-p-Methoxypropenylbenzene
4-Methoxypropenylbenzene
Aniskampfer
ANETHOLE
Monasirup
p-propenylanisol>
p-Propenylanisole
RUVINXPYWBROJD-ONEGZZNKSA-N
Anethol
Anise camphor
Nauli ''gum''
trans-Anethol
trans-Anethole
trans-p-Propenylanisole
4-Propenylanisole
AC1LCUHK
Methoxy-4-propenylbenzene
Nauli 'gum'
p-Propenylphenyl methyl ether
trans-Anethole, primary pharmaceutical reference standard
Acintene O
E-anethole
Nauli gum
p-Anethole
p-Methoxy-beta-methylstyrene
t-anethole
trans-Anise camphor
trans-Anethole, analytical standard
trans-p-Anethole
trans-p-Methoxy-beta-methylstyrene
Oil of aniseed
p-1-Propenylanisole
Q3JEK5DO4K
Anethol (synthetic)
1-Methoxy-4-propenylbenzene
4-Methoxy-1-propenylbenzene
trans-1-p-Anisylpropene
UNII-Q3JEK5DO4K
AC1Q56Q9
Anethol, trans-
Anethole [USAN]
Anethole, trans-
Anisole, trans-
trans-Anethole (natural)
Anethole (NF)
NSC4018
SCHEMBL48599
trans-Anethole, pharmaceutical secondary standard; traceable to USP
(E)-Anethol
(E)-Anethole
(E)-p-Propenylanisole
1-(p-Methoxyphenyl)propene
Anisole, p-propenyl-
DSSTox_CID_87
p-Methoxy-.beta.-methylstyrene
P0494
X8716
Z4733
1-p-Methoxyphenylpropene, trans-
CHEMBL452630
Methoxy-beta-methylstyrene, trans-p-
NE10646
trans-1-(p-Methoxyphenyl)propene
trans-Anethole, 99%
trans-p-Methoxy-.beta.-methylstyrene
UNII-A79C64YD3Q component RUVINXPYWBROJD-ONEGZZNKSA-N
Anethole, United States Pharmacopeia (USP) Reference Standard
C10428
CCRIS 2481
CCRIS 6211
CHEBI:2716
D02377
HMS1922I20
HMS2089P20
HMS2093I09
HSDB 1427
p-(1-Propenyl)anisole
SPECTRUM1503705
UNII-21C2F5E8RE
ZINC967630
(E)-1-p-Methoxyphenylpropene
AK111252
BBL027751
BT000155
DR000142
DS-2756
DTXSID9020087
FEMA Number 2086
HY-B0900
Jsp000441
LS-2410
NSC 4018
NSC-4018
NSC209529
NSC758626
OR196557
OR269214
STK801277
ZB015469
CHEBI:35616
4-(1-propenyl)anisole
AJ-24537
AK-93416
AN-18858
BSPBio_002818
Caswell No. 051B
CCG-38720
CJ-04629
DSSTox_GSID_20087
KB-81234
SC-47202
ST2408089
BB_NC-0676
DSSTox_RID_75356
ghl.PD_Mitscher_leg0.12
MFCD00009284
Spectrum5_000727
T6646998
trans-4-(1-Propenyl)anisole
ZINC00967630
AI3-00380
KB-219117
NSC 209529
NSC-209529
NSC-758626
RTR-030614
ST50330583
TC-138812
TR-030614
WLN: 2U1R DO1
AKOS000121299
EPA Pesticide Chemical Code 015604
Q-201853
W-108812
BRN 0636190
BRN 0774229
FEMA No. 2086
FT-0600040
FT-0623935
FT-0686721
Anisole, p-propenyl-, trans-
1-Methoxy-4-(1-propenyl)benzene
Tox21_202282
Tox21_300132
trans-1-(p-Methoxyphenyl)-1-propene
104-46-1
Anethol, natural, 99%, FG
I14-111054
Propene, 1-(p-methoxyphenyl)-
Benzene,1-methoxy-4- -,oxidized
trans-1-Methoxy-4-(1-propenyl)benzene
(E)-1-(4-Methoxyphenyl)propene
4180-23-8
8022-08-0
NCGC00091493-02
NCGC00091493-03
NCGC00091493-04
NCGC00091493-05
NCGC00091493-06
NCGC00091493-07
NCGC00254015-01
NCGC00259831-01
trans-1-(4-Methoxyphenyl)-1-propene
trans-Anethole, >=99%, FCC, FG
WLN: 2U1R DO1 -T
1-Methoxy-4-[1-propenyl]benzene #
AB00053256_03
AB00053256-02
EINECS 203-205-5
EINECS 224-052-0
EINECS 256-753-2
12002-40-3
50770-19-9
57131-42-7
85681-56-7
Pharmakon1600-01503705
Propenylanisole, p-, (E)-
trans''-1-methoxy-4-(prop-1-enyl)benzene
Benzene, 1-methoxy-4-(propenyl)-
BENZENE,1-METHOXY,4-PROPENYL(TRANS) TRANS ANETHOL
CAS-4180-23-8
SR-05000001866
109957-71-3
SBI-0052758.P002
MolPort-002-507-189
MolPort-004-288-385
1-Propene, 1-(4-methoxyphenyl)-
Anisole, p-propenyl-, (E)-
1-(4-Methoxyphenyl)-1(3)-propene
methyl 4-(prop-1-en-1-yl)phenyl ether
(E)-1-Methoxy-4-(1-propenyl)benzene
Benzene, 1-methoxy-4-(1-propenyl)-
SR-05000001866-2
trans-Anethole, purum, >=98.0% (GC)
1-((1E)prop-1-enyl)-4-methoxybenzene
1-Methoxy-4-((1E)-1-propenyl)benzene
1-Methoxy-4-(prop-1-en-1-yl)benzene
1-methoxy-4-[(E)-prop-1-enyl]benzene
Benzene, 1-methoxy-4-(1E)-1-propenyl-
1-Methoxy-4-(1-propenyl)benzene, (E)-
2-06-00-00523 (Beilstein Handbook Reference)
4-06-00-03796 (Beilstein Handbook Reference)
Anisole, p-propenyl-, (E)- (8CI)
Benzene, 1-methoxy-4-(1-propen-1-yl)-
BRD-K49060658-001-01-5
Benzene,1-Methoxy-4-(1-Propenyl)-,(E)-
(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene
1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-
Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3
Microorganism:

Yes

IUPAC name1-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESCC=CC1=CC=C(C=C1)OC
InchiInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
FormulaC10H12O
PubChem ID637563
Molweight148.205
LogP2.94
Atoms23
Bonds23
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers alkenes phenylpropanoids

mVOC Specific Details

Volatilization
The Henry's Law constant for anethole can be estimated to be 7.18X10-5 atm-cu m/mole using a structure estimation method(1). This value of Henry's Law constant indicates that volatilization from water is not rapid but possibly significant(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 18 hours(2). The volatilization half-life from a model environmental lake (1 meter deep) can be estimated to be about 9 days(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington DC: Amer Chem Soc p.1515 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indexes, the Koc for anethole can be estimated to be about 680(1). The Koc for anethole can be estimated to be about 327 based on an experimental water solubility of 111 mg/L(3) and a regression derived equation(2). According to a suggested classification scheme(4), these estimated Koc values suggest that anethole has medium to low soil mobility.
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (3) Yalkowsky SH; Arizona Database of Aqueous Solubilities. Univ of AZ, College of Pharmacy (1989) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
5.45 Pa @ 294 deg KDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Melanosporumn/an/a
FungiGanoderma LucidumnaGC/MSNo


1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene

Mass-Spectra

Compound Details

Synonymous names
Isomethyleugenol
Methylisoeugenol
Isohomogenol
trans-isomethyleugenol
trans-Methylisoeugenol
Methyl isoeugenol
NNWHUJCUHAELCL-SNAWJCMRSA-N
NNWHUJCUHAELCL-UHFFFAOYSA-N
O-Methylisoeugenol
Isoeugenenyl methyl ether
Methyl IsoEugenol Natural
Isoeugenyl methyl ether
Isoeugenol methyl ether
4-Propenylveratrole
trans-4-Propenylveratrole
4-trans-Propenylveratrole
AC1LCUXZ
O-Methyl Isoeugenol
3,4-Dimethoxypropenylbenzene
J6M6C71VVR
AC1Q575S
M582
UNII-J6M6C71VVR
(E)-Methyl isoeugenol
P1103
NSC46111
UNII-46RN7Q97DE component NNWHUJCUHAELCL-SNAWJCMRSA-N
1-Veratryl-1-propene
CHEMBL465829
Veratrole, 4-propenyl-
ZINC404370
CHEBI:6877
C10478
1,4-Isoeugenol methyl ether
4-Propenyl-1,2-dimethoxybenzene
1,2-Dimethoxy-4-propenylbenzene
BBL009809
AK142028
OR025190
OR377427
OR377428
ZB013511
STK801268
Benzene,2-dimethoxy-4-propenyl-
CHEBI:14469
4-(1-Propenyl)pyrocatechol Dimethyl Ether
FCH3507890
4CN-3022
NSC-46111
LS-29884
AJ-22358
4CN-1393
FCH4094399
1-Propene,4-dimethoxyphenyl)-
AX8053336
Methyl isoeugenol, >=98%, FG
ZINC00404370
BB_NC-0656
MFCD00009282
TR-030873
RTR-030873
ST24035011
I01-7257
1,3,4-Isoeugenol methyl ether
W-100250
ghl.PD_Mitscher_leg0.366
AKOS005608367
FT-0627412
BRN 1911285
93-16-3
Benzene, 1,2-dimethoxy-4-propenyl
BBV-47013885
WLN: 2U1R CO1 DO1
1,2-Dimethoxy-4-propenylbenzene, 99%
6379-72-2
Benzene, 1,2-dimethoxy-4-propenyl-
EINECS 228-958-7
4-(1-Propenyl)-1,2-dimethoxybenzene
54349-79-0
BENZENE,1,2-DIMETHOXY,4-PROPENYL ISOEUGENOL,METHYL ETHER
1-(3,4-Dimethoxyphenyl)-1-propene
Benzene,2-dimethoxy-4-(1-propenyl)-
MolPort-000-698-027
1,2-Dimethoxy-4-[1-propenyl]benzene #
1,2-Dimethoxy-4-(1-propenyl)-benzene
1,2-dimethoxy-4-prop-1-en-1-ylbenzene
Benzene, 4-(1-propenyl)-1,2-dimethoxy
Benzene, 1,2-dimethoxy-4-(1-propenyl)-
1,2-dimethoxy-4-(prop-1-en-1-yl)benzene
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
Benzene, 1,2-dimethoxy-4-propenyl-, (E)-
Benzene, 1,2-dimethoxy-4-(1E)-1-propenyl-
Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-
Benzene,1,2-dimethoxy-4-(1E)-1-propen-1-yl-
(E)-1,2-Dimethoxy-4-(prop-1-en-1-yl)benzene
1,2-dimethoxy-4-[(1E)-prop-1-en-1-yl]benzene
InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4
Microorganism:

Yes

IUPAC name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
SMILESCC=CC1=CC(=C(C=C1)OC)OC
InchiInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
FormulaC11H14O2
PubChem ID637776
Molweight178.231
LogP2.78
Atoms27
Bonds27
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids alkenes ethers phenylpropanoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Melanosporumn/an/a
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes